1-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

C18H24N4OS — CID 154563814

IUPAC1-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESO=C(Cc1cn2ccsc2n1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1C2
InChIInChI=1S/C18H24N4OS/c23-17(8-15-12-21-5-6-24-18(21)19-15)22-10-13-7-14(11-22)16-3-1-2-4-20(16)9-13/h5-6,12-14,16H,1-4,7-11H2/t13-,14-,16+/m1/s1
InChIKeyNFYQHBGCFZEBTA-FMKPAKJESA-N
MW344.48 g/mol
LogP2.27
Rot. Bonds2

About 1-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

1-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (PubChem CID 154563814) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.

Molecular Properties

Compound Name1-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
PubChem CID154563814
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name1-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESO=C(Cc1cn2ccsc2n1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1C2
InChIInChI=1S/C18H24N4OS/c23-17(8-15-12-21-5-6-24-18(21)19-15)22-10-13-7-14(11-22)16-3-1-2-4-20(16)9-13/h5-6,12-14,16H,1-4,7-11H2/t13-,14-,16+/m1/s1
InChIKeyNFYQHBGCFZEBTA-FMKPAKJESA-N
XLogP2.27
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperidine-3-carboxylic acid
CID 81118544
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone
CID 95591217
1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 56914148
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120997345
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129370420
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 95289056
(2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid
CID 61136837
N-(1-cycloheptylpiperidin-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 45244043
1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 95311567
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95607609
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 95279097
1-(3-ethylcyclopentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 113289131

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The IUPAC name of 1-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (CID 154563814) is 1-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.
What is the SMILES notation for 1-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The canonical SMILES for 1-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is O=C(Cc1cn2ccsc2n1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1C2.
What is the InChIKey of 1-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The InChIKey is NFYQHBGCFZEBTA-FMKPAKJESA-N. The full InChI is InChI=1S/C18H24N4OS/c23-17(8-15-12-21-5-6-24-18(21)19-15)22-10-13-7-14(11-22)16-3-1-2-4-20(16)9-13/h5-6,12-14,16H,1-4,7-11H2/t13-,14-,16+/m1/s1.
What are the key properties of 1-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
1-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone has a molecular weight of 344.48 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is sourced from PubChem (CID 154563814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).